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Compound Detail

CHEMBL492110

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COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(O)C[C@H]1C)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL492110
Phase Preclinical
Structure Type MOL
InChI Key LCZOWFAREAROGH-QZTNRIJFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

338.7
MW (Da)
2.72
ALogP
6
HBA
1
HBD
82.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H15ClO6
MW 338.74
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 1.64

Literature References

PubMed DOI Target Context # Activities
19402668 10.1021/jm801517j Unchecked 1

Data from ChEMBL 36 via Core Engine